N-(2-hydroxy-4-nitrophenyl)acetamide

• ChemBase ID: 815976
• Molecular Formular: C8H8N2O4
• Molecular Mass: 196.16012
• Monoisotopic Mass: 196.04840675
• SMILES: CC(=O)Nc1c(cc(cc1)[N+](=O)[O-])O
• Canonical SMILES: CC(=O)Nc1ccc(cc1O)[N+](=O)[O-]
• InChI: InChI=1S/C8H8N2O4/c1-5(11)9-7-3-2-6(10(13)14)4-8(7)12/h2-4,12H,1H3,(H,9,11)
• InChIKey: VVVCUZJRBFEICS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxy-4-nitrophenyl)acetamide
• IUPAC Traditional name: N-(2-hydroxy-4-nitrophenyl)acetamide
• Synonyms: ACETAMIDE, N-(2-HYDROXY-4-NITROPHENYL)-

Database IDs

• CAS Number: 25351-89-7

CALCULATED PROPERTIES

• Acid pKa: 7.215889
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8391704
• LogD (pH = 7.4): 0.4501328
• Log P: 0.84737504
• Molar Refractivity: 49.2224 cm^3
• Polarizability: 17.803637 Å^3
• Polar Surface Area: 92.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%